Compile Data Set for Download or QSAR

Found 563 hits with Last Name = 'kolb' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50423649 (CHEMBL2110363 | CHEMBL2413521 | SB-674042) Show SMILES Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(o2)-c2ccccc2)c(s1)-c1ccccc1F |r| Show InChI InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232755 (CHEMBL4076830) Show SMILES Cc1cc(O)c(CN2CCCC2)c2O\C(=C\c3ccco3)C(=O)c12 Show InChI InChI=1S/C19H19NO4/c1-12-9-15(21)14(11-20-6-2-3-7-20)19-17(12)18(22)16(24-19)10-13-5-4-8-23-13/h4-5,8-10,21H,2-3,6-7,11H2,1H3/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232772 (CHEMBL1625333) Show SMILES COCCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-19-13-11-18-12-14-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232765 (CHEMBL4099306) Show SMILES CCOC(=O)C1Oc2cccc(OCC(O)CNC(C)C)c2C1C Show InChI InChI=1S/C18H27NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11-13,17,19-20H,5,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50347780 (CHEMBL1626224) Show SMILES CC(O)CNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-10,14,18-19H,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232763 (CHEMBL193627 | GNF-Pf-1442) Show SMILES CCN1C(=Cc2sc3ccccc3[n+]2C)C=Cc2cccc(C)c12 |c:17| Show InChI InChI=1S/C21H21N2S/c1-4-23-17(13-12-16-9-7-8-15(2)21(16)23)14-20-22(3)18-10-5-6-11-19(18)24-20/h5-14H,4H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50232764 (CHEMBL4062049) Show SMILES CCNCCOc1ccccc1-c1ccccc1 Show InChI InChI=1S/C16H19NO/c1-2-17-12-13-18-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting meth...				ACS Med Chem Lett 8: 481-485 (2017) Article DOI: 10.1021/acsmedchemlett.6b00363 BindingDB Entry DOI: 10.7270/Q2WM1GNK
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561403 (CHEMBL4776564) Show SMILES Nc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454561 (CHEMBL4214185) Show SMILES COc1ccc2n(C)cc(CCNCCCc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C21H25ClN2O/c1-24-15-17(20-14-19(25-2)9-10-21(20)24)11-13-23-12-3-4-16-5-7-18(22)8-6-16/h5-10,14-15,23H,3-4,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561427 (CHEMBL4759509) Show SMILES Cc1nc2cc(F)cc(C(=O)NCCOc3ccc4ccccc4c3)c2nc1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50412863 (CHEMBL359632 | JNJ-10397049) Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Br)[C@@H](O1)c1ccccc1 |r| Show InChI InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561443 (CHEMBL4795679) Show SMILES CN(Cc1ccccc1C)C(=O)Cc1csc(n1)-c1cccc(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561446 (CHEMBL4756004) Show SMILES O=C(N(Cc1ccco1)Cc1ccco1)c1ccc(o1)-c1nc2ccccc2s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454561 (CHEMBL4214185) Show SMILES COc1ccc2n(C)cc(CCNCCCc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C21H25ClN2O/c1-24-15-17(20-14-19(25-2)9-10-21(20)24)11-13-23-12-3-4-16-5-7-18(22)8-6-16/h5-10,14-15,23H,3-4,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454558 (CHEMBL4217119) Show SMILES CC(NCc1ccc(cc1)-c1ncccn1)c1ccccc1C Show InChI InChI=1S/C20H21N3/c1-15-6-3-4-7-19(15)16(2)23-14-17-8-10-18(11-9-17)20-21-12-5-13-22-20/h3-13,16,23H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50434481 (CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134) Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561449 (CHEMBL4076997) Show SMILES Cc1ccc(Oc2ncccc2NC(=O)c2ccc3OCCCOc3c2)c2CCCc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561421 (CHEMBL4788760) Show SMILES C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561434 (CHEMBL4763441) Show SMILES [H][C@]12CC=C[C@@H](C)[C@]1([H])C(=O)N(C2=O)c1cccc(O[C@@H](C)C(=O)c2ccc(C)cc2)c1 |r,c:3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454560 (CHEMBL4218602) Show SMILES CC(NC1CC(C1)c1ccc(F)cc1)c1ccc(Cl)cc1 |(52.01,-11.1,;53.35,-11.87,;54.68,-11.09,;54.67,-9.55,;55.76,-8.46,;54.67,-7.38,;53.59,-8.47,;54.67,-5.84,;56,-5.07,;56,-3.53,;54.66,-2.76,;54.65,-1.22,;53.32,-3.54,;53.34,-5.08,;53.35,-13.41,;52.02,-14.18,;52.02,-15.72,;53.35,-16.49,;53.35,-18.03,;54.69,-15.72,;54.69,-14.17,)| Show InChI InChI=1S/C18H19ClFN/c1-12(13-2-6-16(19)7-3-13)21-18-10-15(11-18)14-4-8-17(20)9-5-14/h2-9,12,15,18,21H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561441 (CHEMBL4799630) Show SMILES O=C(Nc1cccc(\C=C\c2ccccn2)c1)c1occc1COc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171340 (5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-di...) Show SMILES CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C25H29F6N5O3/c1-35(2)21-5-4-18(15-20(21)22(37)32-6-3-7-36-8-10-39-11-9-36)33-23(38)34-19-13-16(24(26,27)28)12-17(14-19)25(29,30)31/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,37)(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561445 (CHEMBL4759413) Show SMILES C[C@H](Sc1nc(nc2ccccc12)-c1ccco1)C(=O)N1CCc2ccccc2C1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171338 (5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-di...) Show SMILES COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C Show InChI InChI=1S/C22H24F6N4O3/c1-32(2)18-6-5-15(12-17(18)19(33)29-7-4-8-35-3)30-20(34)31-16-10-13(21(23,24)25)9-14(11-16)22(26,27)28/h5-6,9-12H,4,7-8H2,1-3H3,(H,29,33)(H2,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171337 (5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(...) Show SMILES CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C Show InChI InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454564 (CHEMBL4209269) Show SMILES COc1ccc2n(C)cc(CCNCCCc3cccc(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C22H25F3N2O/c1-27-15-17(20-14-19(28-2)8-9-21(20)27)10-12-26-11-4-6-16-5-3-7-18(13-16)22(23,24)25/h3,5,7-9,13-15,26H,4,6,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561419 (CHEMBL4752300) Show SMILES CN(Cc1c(F)cccc1Cl)C(=O)Cc1csc(n1)-c1ccc(C)o1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561454 (CHEMBL4756045) Show SMILES COc1cccc(c1)-c1nc(C(=O)OCc2cccnc2)c(C)[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561436 (CHEMBL4787509) Show SMILES O=C(N1CCN(Cc2csc(n2)-c2ccco2)CC1)c1ccccc1Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561428 (CHEMBL4761896) Show SMILES CN(CCc1cccc2ccccc12)C(=O)c1c[nH]c(=O)c(Cl)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561439 (CHEMBL4790273) Show SMILES Cc1ccccc1OC[C@@H]1CCCN(C1)C(=O)CCc1nc(no1)-c1ccccn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561417 (CHEMBL4799045) Show SMILES Cc1ccc(CSCc2ccc(o2)-c2nc(no2)-c2ccccn2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561442 (CHEMBL4758573) Show SMILES C[C@H](N(C)C(=O)Cc1csc(n1)-c1ccc(C)o1)c1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561407 (CHEMBL4761684) Show SMILES O=C1N(c2ccccc2\C1=C/c1ccc(cc1)N1CCOCC1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454554 (CHEMBL4209786) Show SMILES COc1ccc2n(C)cc(CCN)c2c1 Show InChI InChI=1S/C12H16N2O/c1-14-8-9(5-6-13)11-7-10(15-2)3-4-12(11)14/h3-4,7-8H,5-6,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561426 (CHEMBL4741048) Show SMILES COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(OC)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561411 (CHEMBL4753295) Show SMILES Fc1cccc(\C=C\C(=O)N2CCOc3c(C2)cc(cc3OC[C@H]2CCCCO2)-c2cccnc2)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561462 (CHEMBL4756829) Show SMILES C(c1ccncc1)n1ncc2[nH]c(nc12)-c1c[nH]nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561448 (CHEMBL4793440) Show SMILES COc1ccc(cc1)C(=O)Oc1cc(=O)n(c2CCCCc12)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454564 (CHEMBL4209269) Show SMILES COc1ccc2n(C)cc(CCNCCCc3cccc(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C22H25F3N2O/c1-27-15-17(20-14-19(28-2)8-9-21(20)27)10-12-26-11-4-6-16-5-3-7-18(13-16)22(23,24)25/h3,5,7-9,13-15,26H,4,6,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50171339 (1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thia...) Show SMILES CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 Show InChI InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zürich Curated by ChEMBL					Assay Description Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics				J Med Chem 48: 5108-11 (2005) Article DOI: 10.1021/jm050499d BindingDB Entry DOI: 10.7270/Q228074P
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561432 (CHEMBL4747508) Show SMILES Fc1ccc(CN(C2CC2)C(=O)c2cccc(c2)N2CCCC2=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561405 (CHEMBL4753288) Show SMILES Fc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454559 (CHEMBL4202934) Show SMILES CNCc1ccc(cc1)-c1nccs1 Show InChI InChI=1S/C11H12N2S/c1-12-8-9-2-4-10(5-3-9)11-13-6-7-14-11/h2-7,12H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454557 (CHEMBL4214761) Show SMILES CC(N)c1ccc(Cl)cc1 Show InChI InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561460 (CHEMBL4745747) Show SMILES Cc1cccc(C)c1NC(=O)CCCN1C(=O)c2cccnc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50454554 (CHEMBL4209786) Show SMILES COc1ccc2n(C)cc(CCN)c2c1 Show InChI InChI=1S/C12H16N2O/c1-14-8-9(5-6-13)11-7-10(15-2)3-4-12(11)14/h3-4,7-8H,5-6,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50037773 (CHEMBL3358195) Show SMILES CNCc1cc2ccccc2s1 Show InChI InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg Curated by ChEMBL					Assay Description Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintill...				J Med Chem 61: 1118-1129 (2018) Article DOI: 10.1021/acs.jmedchem.7b01558 BindingDB Entry DOI: 10.7270/Q2Z89G08
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50561413 (CHEMBL4750883) Show SMILES Fc1cccc2sc(C(=O)N3CCN(Cc4ccco4)CC3)c(Cl)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00964 BindingDB Entry DOI: 10.7270/Q2XK8K72
					More data for this Ligand-Target Pair

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